but-3-enyl 7-methyl-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-8-carboxylate

Systemtic Name: but-3-enyl 7-methyl-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6}-benzothiepine-8-carboxylate Openeye Name: but-3-enyl 7-methyl-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-8-carboxylate CAS Name: 7-methyl-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-8-carboxylic acid but-3-enyl ester IUPAC Name: but-3-enyl 7-methyl-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepine-8-carboxylate Traditional Name: 1,1-diketo-7-methyl-2,3-dihydro-1$l^{6}-benzothiepin-8-carboxylic acid but-3-enyl ester Formula: C16H18O4S MolecularWeight: 306.37672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=CCCS2(=O)=O)C(=O)OCCC=C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=CCCS2(=O)=O)C(=O)OCCC=C

InChI

InChI=1S/C16H18O4S/c1-3-4-8-20-16(17)14-11-15-13(10-12(14)2)7-5-6-9-21(15,18)19/h3,5,7,10-11H,1,4,6,8-9H2,2H3